Chemoinformaics analysis of  Cannabigerolic-Acid
Molecular Weight | 360.494 | nRot | 10 |
Heavy Atom Molecular Weight | 328.238 | nRig | 9 |
Exact Molecular Weight | 360.23 | nRing | 1 |
Solubility: LogS | -3.095 | nHRing | 0 |
Solubility: LogP | 7.448 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 58 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 26 | No. of Aromatic Carbocycles | 1 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 32 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 22 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 6 |
No. of Oxygen atom | 4 | No. of Arom Bond | 6 |
nHA | 3 | APOL | 61.2854 |
nHD | 3 | BPOL | 32.9706 |
QED | 0.366 |
Synth | 2.796 |
Natural Product Likeliness | 2.147 |
NR-PPAR-gamma | 0.945 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.117 |
Pgp-sub | 0.003 |
HIA | 0.01 |
CACO-2 | -5.012 |
MDCK | 0.0000164 |
BBB | 0.044 |
PPB | 0.9871 |
VDSS | 2.985 |
FU | 0.0299753 |
CYP1A2-inh | 0.29 |
CYP1A2-sub | 0.184 |
CYP2c19-inh | 0.092 |
CYP2c19-sub | 0.061 |
CYP2c9-inh | 0.712 |
CYP2c9-sub | 0.483 |
CYP2d6-inh | 0.833 |
CYP2d6-sub | 0.128 |
CYP3a4-inh | 0.068 |
CYP3a4-sub | 0.029 |
CL | 3.16 |
T12 | 0.446 |
hERG | 0.036 |
Ames | 0.005 |
ROA | 0.341 |
SkinSen | 0.317 |
Carcinogencity | 0.124 |
EI | 0.066 |
Respiratory | 0.81 |
NR-Aromatase | 0.04 |
Antiviral | Yes |
Prediction | 0.736747 |